SCHEMBL3172005

SCHEMBL3172005

O=C(O)c1cc(Br)ccc1CO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
GLA P06280 1/20 0.55
PTGDR2 Q9Y5Y4 2/20 0.49
APEX1 P27695 1/20 0.47
MYC P01106 1/20 0.46
NR4A1 P22736 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GPR35 Q9HC97 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CES2 O00748 1/20 0.44
GALR3 O60755 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28047920 0.98 KDM4E (0.53) KDM4EGLAPTGDR2APEX1MYC
SCHEMBL6844857 0.84 KDM4E (0.55) KDM4EGLAPTGDR2APEX1MYC
SCHEMBL31125276 0.84 KDM4E (0.55) KDM4EGLAPTGDR2APEX1MYC
SCHEMBL23243427 0.84 KDM4E (0.55) KDM4EGLAPTGDR2APEX1MYC
SCHEMBL3746157 0.84 PTGDR2 (0.53) KDM4EGLAPTGDR2APEX1MYC
SCHEMBL31053264 0.82 KDM4E (0.53) KDM4EGLAPTGDR2APEX1MYC
SCHEMBL24102358 0.82 DGAT1 (0.52) KDM4EGLAPTGDR2MYCNR4A1
SCHEMBL1400054 0.82 KDM4E (0.53) KDM4EGLAPTGDR2APEX1MYC
SCHEMBL31529596 0.82 KDM4E (0.58) KDM4EGLAPTGDR2APEX1MYC
SCHEMBL25612072 0.82 KDM4E (0.58) KDM4EGLAPTGDR2APEX1MYC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949668-B2 Process for producing 5-(3-cyanophenyl)-3-formylbenzoic acid compound TEIJIN LIMITED (JP) 2005-09-27 US claimed
US-20050014966-A1 Process for producing 5-(3-cyanophenyl)-3-formylbenzoic acid compound TEIJIN LIMITED (JP) 2005-01-20 US claimed
EP-1460059-A1 PROCESS FOR PRODUCING 5-(3-CYANOPHENYL)-3-FORMYLBENZOIC ACID COMPOUND TEIJIN LIMITED (JP) 2004-09-22 EP claimed
CN-110862327-A Preparation method of 5-bromo-2-hydroxyanthranilic acid 宿迁远扬生物科技有限公司 2020-03-06 CN disclosed
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 US disclosed
US-7645780-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-7544717-B2 2-amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. (US) 2009-06-09 US disclosed
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. 2007-12-20 US disclosed
EP-1565443-A4 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES ELAN PHARM INC (US) 2007-07-18 EP disclosed
US-7244725-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed
EP-1751091-A2 2-AMINO- AND 2-THIO-SUBSTITUTED 1,3-DIAMINOPROPANES Elan Pharmaceuticals, Inc. (US) 2007-02-14 EP disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005095326-A2 2-AMINO- AND 2-THIO-SUBSTITUTED 1,3-DIAMINOPROPANES ELAN PHARMACEUTICALS, INC. (US) 2005-10-13 WO disclosed
US-6949668-B2 Process for producing 5-(3-cyanophenyl)-3-formylbenzoic acid compound TEIJIN LIMITED (JP) 2005-09-27 US disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
EP-1565443-A2 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES Elan Pharmaceuticals, Inc. (US) 2005-08-24 EP disclosed
US-20050014966-A1 Process for producing 5-(3-cyanophenyl)-3-formylbenzoic acid compound TEIJIN LIMITED (JP) 2005-01-20 US disclosed
EP-1460059-A1 PROCESS FOR PRODUCING 5-(3-CYANOPHENYL)-3-FORMYLBENZOIC ACID COMPOUND TEIJIN LIMITED (JP) 2004-09-22 EP disclosed
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS INC. 2004-09-16 US disclosed
WO-2004024081-A2 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES ELAN PHARMACEUTICALS, INC. (US) 2004-03-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES BACE1, BACE2, APP KDM4E 3339/4885GLA 7/4885PTGDR2 1687/4885
US-20050014966-A1 Process for producing 5-(3-cyanophenyl)-3-formylbenzoic acid compound PAH, CA5B, PCCA KDM4E 430/4885GLA 2466/4885PTGDR2 2605/4885
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP KDM4E 3826/4885GLA 7/4885PTGDR2 2345/4885
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 KDM4E 4405/4885GLA 126/4885PTGDR2 4578/4885
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP KDM4E 3339/4885GLA 7/4885PTGDR2 1687/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.